SCHEMBL9727749

SCHEMBL9727749

Oc1cc2c(cc1CCCOc1ccc(-c3nnn[nH]3)cc1)OC(CCc1ccccc1)C2

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
GP6 Q9HCN6 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9727649 0.89 HIF1A (0.34) MAOAMAOBBRD4CREBBPGP6
SCHEMBL5513024 0.88 HPGD (0.32)
SCHEMBL5506271 0.85 MAOA (0.41) MAOAMAOB
SCHEMBL9727677 0.79 PTGDR2 (0.38) MAOAMAOB
SCHEMBL9727650 0.79 KDM1A (0.41) CYSLTR1CYSLTR2
SCHEMBL9727674 0.77 LTB4R (0.38) MAOAMAOB
SCHEMBL9727669 0.77 MTNR1A (0.43)
SCHEMBL14435039 0.75 AKR1B1 (0.40)
SCHEMBL27739159 0.74 MAOB (0.41) MAOAMAOB
SCHEMBL5518490 0.73 F2 (0.41) MAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed